5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid

C7H8N2O5 — CID 11148327

IUPAC5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1OCC(=O)O
InChIInChI=1S/C7H8N2O5/c1-9-5(14-3-6(10)11)2-4(8-9)7(12)13/h2H,3H2,1H3,(H,10,11)(H,12,13)
InChIKeyZYCGTVOODHZVAB-UHFFFAOYSA-N
MW200.15 g/mol
LogP-0.42
Rot. Bonds4

About 5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid

5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid (PubChem CID 11148327) has the molecular formula C7H8N2O5 and a molecular weight of 200.15 g/mol. Its IUPAC name is 5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid
PubChem CID11148327
Molecular FormulaC7H8N2O5
Molecular Weight200.15 g/mol
Exact Mass200.04
IUPAC Name5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1OCC(=O)O
InChIInChI=1S/C7H8N2O5/c1-9-5(14-3-6(10)11)2-4(8-9)7(12)13/h2H,3H2,1H3,(H,10,11)(H,12,13)
InChIKeyZYCGTVOODHZVAB-UHFFFAOYSA-N
XLogP-0.42
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,2-difluoroethoxy)-1-methylpyrazole-3-carboxylic acid
CID 130229500
methyl 5-(2-ethoxy-2-oxoethoxy)-1-methylpyrazole-3-carboxylate
CID 11333961
2-(2-methylpyrazol-3-yl)oxyacetic acid
CID 84650313
1,5-dimethylpyrazole-3-carboxylic acid;iridium
CID 59657074
1-methyl-5-(sulfanylmethyl)pyrazole-3-carboxylic acid
CID 117217191
2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid
CID 2801295
2-[3-(3,5-dimethylpiperidine-1-carbonyl)-1-methylpyrazol-5-yl]oxy-1-pyrrolidin-1-ylethanone
CID 71687635
5-[(3,5-dimethylphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 82090132
5-(1,3-dihydroisoindol-2-ylmethyl)-1-methylpyrazole-3-carboxylic acid
CID 117217117
N-butan-2-yl-1-methyl-5-(2-oxo-2-piperidin-1-ylethoxy)pyrazole-3-carboxamide
CID 56730562
5-(4-chlorobutyl)-1-methylpyrazole-3-carboxylic acid
CID 66958663
1-methyl-5-(methylaminomethyl)pyrazole-3-carboxylic acid
CID 117217130

Frequently Asked Questions

What is the IUPAC name of 5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid (CID 11148327) is 5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1OCC(=O)O.
What is the InChIKey of 5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is ZYCGTVOODHZVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O5/c1-9-5(14-3-6(10)11)2-4(8-9)7(12)13/h2H,3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid?
5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 200.15 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carboxymethoxy)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 11148327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).